[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine

C12H20N2O2S — CID 114985081

IUPAC[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1ccc(C)c(C(CCS(C)(=O)=O)NN)c1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-10(2)11(8-9)12(14-13)6-7-17(3,15)16/h4-5,8,12,14H,6-7,13H2,1-3H3
InChIKeyBQXXCRKDGWCZKW-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.24
Rot. Bonds5

About [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine

[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114985081) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114985081
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1ccc(C)c(C(CCS(C)(=O)=O)NN)c1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-10(2)11(8-9)12(14-13)6-7-17(3,15)16/h4-5,8,12,14H,6-7,13H2,1-3H3
InChIKeyBQXXCRKDGWCZKW-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
CID 114984621
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985187
[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105292563
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine (CID 114985081) is [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine is Cc1ccc(C)c(C(CCS(C)(=O)=O)NN)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is BQXXCRKDGWCZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-4-5-10(2)11(8-9)12(14-13)6-7-17(3,15)16/h4-5,8,12,14H,6-7,13H2,1-3H3.
What are the key properties of [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine?
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 256.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114985081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).